In recent years many efforts have been devoted to the screening and the study of new solid-
state forms of old active pharmaceutical ingredients (APIs) with salification or co …

Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …

Due to their strong dependence on local atonic environments, NMR chemical shifts are
among the most powerful tools for strucutre elucidation of powdered solids or amorphous …

The performance of fragment-based ab initio1H, 13C, 15N and 17O chemical shift
predictions is assessed against experimental NMR chemical shift data in four benchmark …

We report the crystal structure of a new polymorph of L-tyrosine (denoted the β polymorph),
prepared by crystallization from the gas phase following vacuum sublimation. Structure …

Derivatives of guanine exhibit diverse supramolecular chemistry, with a variety of distinct
hydrogen-bonding motifs reported in the solid state, including ribbons and quartets, which …

We report the crystal structure of the anhydrous phase of cimetidine hydrochloride,
determined directly from powder X-ray diffraction data. The material was prepared by …

The nitrogen atom of 2, 6-di-tert-butyl-N, N-diethylpyridin-4-amine (DEAP) is not available for
non-covalent interactions. This molecule has been used to define the reference 15N NMR …

This review provides comprehensive data (from the author's work and the literature) on
tautomerism of pyrazoles, imidazoles, 1, 2, 3-and 1, 2, 4-triazoles, tetrazoles …

Niclosamide is a Biopharmaceutics Classification System (BCS) class II taeniacide currently
reconsidered for new promising applications including treatment of rheumatoid arthritis …